N-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide

C14H20N2O3S — CID 62348617

IUPACN-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(OCC2CCCN2)cc1
InChIInChI=1S/C14H20N2O3S/c17-20(18,16-11-3-4-11)14-7-5-13(6-8-14)19-10-12-2-1-9-15-12/h5-8,11-12,15-16H,1-4,9-10H2
InChIKeyHVZDYMWVSRMDKE-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.26
Rot. Bonds6

About N-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide

N-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide (PubChem CID 62348617) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide
PubChem CID62348617
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(OCC2CCCN2)cc1
InChIInChI=1S/C14H20N2O3S/c17-20(18,16-11-3-4-11)14-7-5-13(6-8-14)19-10-12-2-1-9-15-12/h5-8,11-12,15-16H,1-4,9-10H2
InChIKeyHVZDYMWVSRMDKE-UHFFFAOYSA-N
XLogP1.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide (CID 62348617) is N-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(OCC2CCCN2)cc1.
What is the InChIKey of N-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide?
The InChIKey is HVZDYMWVSRMDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-20(18,16-11-3-4-11)14-7-5-13(6-8-14)19-10-12-2-1-9-15-12/h5-8,11-12,15-16H,1-4,9-10H2.
What are the key properties of N-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide?
N-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(pyrrolidin-2-ylmethoxy)benzenesulfonamide is sourced from PubChem (CID 62348617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).